3-(4-butoxyphenoxy)-N-propan-2-ylpropan-1-amine

C16H27NO2 — CID 10491946

IUPAC3-(4-butoxyphenoxy)-N-propan-2-ylpropan-1-amine
SMILESCCCCOc1ccc(OCCCNC(C)C)cc1
InChIInChI=1S/C16H27NO2/c1-4-5-12-18-15-7-9-16(10-8-15)19-13-6-11-17-14(2)3/h7-10,14,17H,4-6,11-13H2,1-3H3
InChIKeyYSFSJCSWXNDCJN-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.63
Rot. Bonds10

About 3-(4-butoxyphenoxy)-N-propan-2-ylpropan-1-amine

3-(4-butoxyphenoxy)-N-propan-2-ylpropan-1-amine (PubChem CID 10491946) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-(4-butoxyphenoxy)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(4-butoxyphenoxy)-N-propan-2-ylpropan-1-amine
PubChem CID10491946
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3-(4-butoxyphenoxy)-N-propan-2-ylpropan-1-amine
SMILESCCCCOc1ccc(OCCCNC(C)C)cc1
InChIInChI=1S/C16H27NO2/c1-4-5-12-18-15-7-9-16(10-8-15)19-13-6-11-17-14(2)3/h7-10,14,17H,4-6,11-13H2,1-3H3
InChIKeyYSFSJCSWXNDCJN-UHFFFAOYSA-N
XLogP3.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-butoxyphenoxy)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(4-butoxyphenoxy)-N-propan-2-ylpropan-1-amine (CID 10491946) is 3-(4-butoxyphenoxy)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(4-butoxyphenoxy)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(4-butoxyphenoxy)-N-propan-2-ylpropan-1-amine is CCCCOc1ccc(OCCCNC(C)C)cc1.
What is the InChIKey of 3-(4-butoxyphenoxy)-N-propan-2-ylpropan-1-amine?
The InChIKey is YSFSJCSWXNDCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-5-12-18-15-7-9-16(10-8-15)19-13-6-11-17-14(2)3/h7-10,14,17H,4-6,11-13H2,1-3H3.
What are the key properties of 3-(4-butoxyphenoxy)-N-propan-2-ylpropan-1-amine?
3-(4-butoxyphenoxy)-N-propan-2-ylpropan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.63, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butoxyphenoxy)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 10491946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).